USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 611 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 52 ASN : amide:sc= -0.0416 K(o=-0.042,f=-0.59) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc= -1.44! C(o=-1.4!,f=-1!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -146:sc= -1.19 (180deg=-2.73!) USER MOD Single : A 38 SER OG : rot 180:sc= -1.71! USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0374 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -2.78! K(o=-2.8!,f=-1.5) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -97:sc= 0.112 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -120:sc= -0.103 (180deg=-1.1) USER MOD Single : A 85 GLN : amide:sc= -0.175 X(o=-0.18,f=-0.0055) USER MOD Single : A 86 MET CE :methyl -174:sc= -4.34! (180deg=-4.54!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N ASP A 5 -16.107 5.738 -9.988 1.00 0.00 N ATOM 56 CA ASP A 5 -14.940 6.655 -9.885 1.00 0.00 C ATOM 57 C ASP A 5 -13.965 6.100 -8.812 1.00 0.00 C ATOM 58 O ASP A 5 -13.886 6.626 -7.695 1.00 0.00 O ATOM 59 CB ASP A 5 -15.384 8.118 -9.592 1.00 0.00 C ATOM 60 CG ASP A 5 -16.675 8.585 -10.287 1.00 0.00 C ATOM 61 OD1 ASP A 5 -17.778 8.245 -9.804 1.00 0.00 O ATOM 62 OD2 ASP A 5 -16.588 9.285 -11.320 1.00 0.00 O ATOM 0 HA ASP A 5 -14.419 6.695 -10.841 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.515 8.228 -8.515 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.575 8.787 -9.885 1.00 0.00 H new ATOM 67 N GLN A 6 -13.218 5.041 -9.179 1.00 0.00 N ATOM 68 CA GLN A 6 -12.250 4.372 -8.271 1.00 0.00 C ATOM 69 C GLN A 6 -10.918 5.171 -8.305 1.00 0.00 C ATOM 70 O GLN A 6 -10.428 5.628 -7.267 1.00 0.00 O ATOM 71 CB GLN A 6 -12.064 2.884 -8.682 1.00 0.00 C ATOM 72 CG GLN A 6 -10.617 2.334 -8.628 1.00 0.00 C ATOM 73 CD GLN A 6 -10.404 1.023 -9.405 1.00 0.00 C ATOM 74 OE1 GLN A 6 -11.231 0.112 -9.359 1.00 0.00 O ATOM 75 NE2 GLN A 6 -9.304 0.898 -10.131 1.00 0.00 N ATOM 0 H GLN A 6 -13.264 4.622 -10.108 1.00 0.00 H new ATOM 0 HA GLN A 6 -12.622 4.364 -7.246 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -12.688 2.269 -8.034 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -12.440 2.760 -9.698 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -9.939 3.090 -9.024 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -10.342 2.173 -7.586 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -8.625 1.658 -10.163 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -9.136 0.041 -10.659 1.00 0.00 H new ATOM 84 N GLN A 7 -10.349 5.326 -9.516 1.00 0.00 N ATOM 85 CA GLN A 7 -9.029 5.981 -9.716 1.00 0.00 C ATOM 86 C GLN A 7 -9.229 7.519 -9.649 1.00 0.00 C ATOM 87 O GLN A 7 -8.338 8.252 -9.202 1.00 0.00 O ATOM 88 CB GLN A 7 -8.393 5.589 -11.081 1.00 0.00 C ATOM 89 CG GLN A 7 -9.301 4.823 -12.071 1.00 0.00 C ATOM 90 CD GLN A 7 -10.490 5.667 -12.557 1.00 0.00 C ATOM 91 OE1 GLN A 7 -11.623 5.191 -12.631 1.00 0.00 O ATOM 92 NE2 GLN A 7 -10.267 6.927 -12.901 1.00 0.00 N ATOM 0 H GLN A 7 -10.783 5.005 -10.382 1.00 0.00 H new ATOM 0 HA GLN A 7 -8.349 5.647 -8.933 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.047 6.500 -11.570 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.512 4.978 -10.884 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.710 4.507 -12.930 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.674 3.919 -11.591 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -9.326 7.314 -12.837 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.037 7.510 -13.230 1.00 0.00 H new ATOM 101 N ALA A 8 -10.407 7.992 -10.099 1.00 0.00 N ATOM 102 CA ALA A 8 -10.751 9.439 -10.100 1.00 0.00 C ATOM 103 C ALA A 8 -10.414 10.066 -8.720 1.00 0.00 C ATOM 104 O ALA A 8 -10.036 11.240 -8.635 1.00 0.00 O ATOM 105 CB ALA A 8 -12.241 9.603 -10.459 1.00 0.00 C ATOM 0 H ALA A 8 -11.145 7.394 -10.470 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.160 9.967 -10.849 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.500 10.662 -10.462 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.426 9.182 -11.447 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.852 9.082 -9.722 1.00 0.00 H new ATOM 111 N GLU A 9 -10.545 9.259 -7.650 1.00 0.00 N ATOM 112 CA GLU A 9 -10.352 9.720 -6.250 1.00 0.00 C ATOM 113 C GLU A 9 -8.862 10.102 -6.039 1.00 0.00 C ATOM 114 O GLU A 9 -8.527 11.283 -5.890 1.00 0.00 O ATOM 115 CB GLU A 9 -10.824 8.652 -5.220 1.00 0.00 C ATOM 116 CG GLU A 9 -12.320 8.686 -4.829 1.00 0.00 C ATOM 117 CD GLU A 9 -12.561 9.245 -3.425 1.00 0.00 C ATOM 118 OE1 GLU A 9 -11.727 10.040 -2.939 1.00 0.00 O ATOM 119 OE2 GLU A 9 -13.583 8.888 -2.798 1.00 0.00 O ATOM 0 H GLU A 9 -10.787 8.271 -7.725 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.971 10.601 -6.080 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.599 7.665 -5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.231 8.767 -4.313 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.865 9.292 -5.553 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.727 7.677 -4.887 1.00 0.00 H new ATOM 126 N ALA A 10 -7.983 9.083 -5.999 1.00 0.00 N ATOM 127 CA ALA A 10 -6.539 9.268 -5.696 1.00 0.00 C ATOM 128 C ALA A 10 -5.949 10.407 -6.573 1.00 0.00 C ATOM 129 O ALA A 10 -5.028 11.115 -6.151 1.00 0.00 O ATOM 130 CB ALA A 10 -5.803 7.932 -5.918 1.00 0.00 C ATOM 0 H ALA A 10 -8.245 8.113 -6.173 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.409 9.563 -4.655 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.743 8.060 -5.698 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.222 7.172 -5.258 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.923 7.618 -6.955 1.00 0.00 H new ATOM 136 N ARG A 11 -6.479 10.544 -7.803 1.00 0.00 N ATOM 137 CA ARG A 11 -5.963 11.505 -8.814 1.00 0.00 C ATOM 138 C ARG A 11 -6.138 12.940 -8.245 1.00 0.00 C ATOM 139 O ARG A 11 -5.165 13.696 -8.134 1.00 0.00 O ATOM 140 CB ARG A 11 -6.712 11.336 -10.166 1.00 0.00 C ATOM 141 CG ARG A 11 -6.780 12.609 -11.041 1.00 0.00 C ATOM 142 CD ARG A 11 -7.313 12.329 -12.458 1.00 0.00 C ATOM 143 NE ARG A 11 -6.795 13.309 -13.446 1.00 0.00 N ATOM 144 CZ ARG A 11 -7.513 13.821 -14.466 1.00 0.00 C ATOM 145 NH1 ARG A 11 -8.501 13.133 -15.021 1.00 0.00 N ATOM 146 NH2 ARG A 11 -7.243 15.023 -14.957 1.00 0.00 N ATOM 0 H ARG A 11 -7.275 9.996 -8.130 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.908 11.316 -9.012 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.224 10.546 -10.738 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.728 11.000 -9.961 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.421 13.345 -10.555 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.786 13.050 -11.112 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.027 11.322 -12.761 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.402 12.363 -12.450 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.828 13.617 -13.346 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.729 12.200 -14.677 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.033 13.537 -15.792 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.482 15.576 -14.563 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.797 15.395 -15.729 1.00 0.00 H new ATOM 160 N ALA A 12 -7.390 13.292 -7.892 1.00 0.00 N ATOM 161 CA ALA A 12 -7.735 14.654 -7.401 1.00 0.00 C ATOM 162 C ALA A 12 -6.960 14.956 -6.089 1.00 0.00 C ATOM 163 O ALA A 12 -6.665 16.118 -5.784 1.00 0.00 O ATOM 164 CB ALA A 12 -9.260 14.757 -7.202 1.00 0.00 C ATOM 0 H ALA A 12 -8.185 12.655 -7.936 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.439 15.402 -8.137 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.513 15.754 -6.842 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.764 14.575 -8.151 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.583 14.015 -6.472 1.00 0.00 H new ATOM 170 N PHE A 13 -6.665 13.899 -5.310 1.00 0.00 N ATOM 171 CA PHE A 13 -5.956 14.023 -4.008 1.00 0.00 C ATOM 172 C PHE A 13 -4.511 14.537 -4.250 1.00 0.00 C ATOM 173 O PHE A 13 -4.030 15.426 -3.538 1.00 0.00 O ATOM 174 CB PHE A 13 -6.004 12.652 -3.271 1.00 0.00 C ATOM 175 CG PHE A 13 -5.432 12.657 -1.840 1.00 0.00 C ATOM 176 CD1 PHE A 13 -5.011 13.855 -1.250 1.00 0.00 C ATOM 177 CD2 PHE A 13 -5.343 11.466 -1.108 1.00 0.00 C ATOM 178 CE1 PHE A 13 -4.506 13.861 0.047 1.00 0.00 C ATOM 179 CE2 PHE A 13 -4.837 11.475 0.190 1.00 0.00 C ATOM 180 CZ PHE A 13 -4.417 12.672 0.765 1.00 0.00 C ATOM 0 H PHE A 13 -6.906 12.939 -5.556 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.445 14.754 -3.364 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.040 12.315 -3.230 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.454 11.920 -3.863 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.078 14.779 -1.804 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.668 10.537 -1.552 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.183 14.788 0.496 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.770 10.554 0.750 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.021 12.678 1.770 1.00 0.00 H new ATOM 190 N LEU A 14 -3.840 13.966 -5.267 1.00 0.00 N ATOM 191 CA LEU A 14 -2.417 14.264 -5.575 1.00 0.00 C ATOM 192 C LEU A 14 -2.383 15.405 -6.629 1.00 0.00 C ATOM 193 O LEU A 14 -3.278 15.509 -7.475 1.00 0.00 O ATOM 194 CB LEU A 14 -1.676 12.988 -6.078 1.00 0.00 C ATOM 195 CG LEU A 14 -1.877 11.676 -5.266 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.763 10.434 -6.173 1.00 0.00 C ATOM 197 CD2 LEU A 14 -0.892 11.555 -4.085 1.00 0.00 C ATOM 0 H LEU A 14 -4.261 13.286 -5.900 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.895 14.587 -4.674 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.989 12.800 -7.105 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.609 13.207 -6.105 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.885 11.725 -4.854 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.908 9.533 -5.577 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.525 10.481 -6.951 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.775 10.409 -6.633 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.076 10.622 -3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.131 11.562 -4.462 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.034 12.395 -3.405 1.00 0.00 H new ATOM 209 N SER A 15 -1.340 16.252 -6.556 1.00 0.00 N ATOM 210 CA SER A 15 -1.138 17.378 -7.506 1.00 0.00 C ATOM 211 C SER A 15 -0.267 16.908 -8.702 1.00 0.00 C ATOM 212 O SER A 15 -0.022 15.708 -8.873 1.00 0.00 O ATOM 213 CB SER A 15 -0.512 18.577 -6.757 1.00 0.00 C ATOM 214 OG SER A 15 -0.819 18.541 -5.367 1.00 0.00 O ATOM 0 H SER A 15 -0.613 16.182 -5.844 1.00 0.00 H new ATOM 0 HA SER A 15 -2.095 17.706 -7.913 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.570 18.568 -6.892 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.879 19.509 -7.188 1.00 0.00 H new ATOM 0 HG SER A 15 -0.408 19.311 -4.921 1.00 0.00 H new ATOM 220 N GLU A 16 0.177 17.870 -9.532 1.00 0.00 N ATOM 221 CA GLU A 16 1.006 17.589 -10.734 1.00 0.00 C ATOM 222 C GLU A 16 2.463 17.304 -10.278 1.00 0.00 C ATOM 223 O GLU A 16 3.149 16.456 -10.861 1.00 0.00 O ATOM 224 CB GLU A 16 0.891 18.760 -11.753 1.00 0.00 C ATOM 225 CG GLU A 16 1.923 18.776 -12.906 1.00 0.00 C ATOM 226 CD GLU A 16 1.499 17.973 -14.140 1.00 0.00 C ATOM 227 OE1 GLU A 16 0.284 17.908 -14.431 1.00 0.00 O ATOM 228 OE2 GLU A 16 2.378 17.403 -14.823 1.00 0.00 O ATOM 0 H GLU A 16 -0.024 18.861 -9.395 1.00 0.00 H new ATOM 0 HA GLU A 16 0.647 16.703 -11.257 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.108 18.736 -12.189 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.977 19.698 -11.205 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.103 19.809 -13.203 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.869 18.381 -12.537 1.00 0.00 H new ATOM 235 N GLU A 17 2.911 18.027 -9.230 1.00 0.00 N ATOM 236 CA GLU A 17 4.307 17.929 -8.723 1.00 0.00 C ATOM 237 C GLU A 17 4.443 16.603 -7.926 1.00 0.00 C ATOM 238 O GLU A 17 5.494 15.952 -7.957 1.00 0.00 O ATOM 239 CB GLU A 17 4.691 19.192 -7.896 1.00 0.00 C ATOM 240 CG GLU A 17 3.803 19.506 -6.669 1.00 0.00 C ATOM 241 CD GLU A 17 3.886 20.958 -6.188 1.00 0.00 C ATOM 242 OE1 GLU A 17 5.004 21.517 -6.139 1.00 0.00 O ATOM 243 OE2 GLU A 17 2.833 21.546 -5.853 1.00 0.00 O ATOM 0 H GLU A 17 2.330 18.687 -8.714 1.00 0.00 H new ATOM 0 HA GLU A 17 5.017 17.902 -9.550 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.719 19.076 -7.553 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.672 20.055 -8.561 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.767 19.276 -6.916 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.089 18.847 -5.849 1.00 0.00 H new ATOM 250 N MET A 18 3.355 16.204 -7.241 1.00 0.00 N ATOM 251 CA MET A 18 3.319 14.962 -6.425 1.00 0.00 C ATOM 252 C MET A 18 3.243 13.753 -7.398 1.00 0.00 C ATOM 253 O MET A 18 3.844 12.702 -7.146 1.00 0.00 O ATOM 254 CB MET A 18 2.137 14.979 -5.414 1.00 0.00 C ATOM 255 CG MET A 18 2.355 15.820 -4.142 1.00 0.00 C ATOM 256 SD MET A 18 1.241 15.262 -2.833 1.00 0.00 S ATOM 257 CE MET A 18 2.025 15.978 -1.373 1.00 0.00 C ATOM 0 H MET A 18 2.478 16.725 -7.233 1.00 0.00 H new ATOM 0 HA MET A 18 4.222 14.883 -5.820 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.251 15.353 -5.927 1.00 0.00 H new ATOM 0 HB3 MET A 18 1.924 13.952 -5.116 1.00 0.00 H new ATOM 0 HG2 MET A 18 3.390 15.733 -3.812 1.00 0.00 H new ATOM 0 HG3 MET A 18 2.177 16.873 -4.358 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.448 15.718 -0.486 1.00 0.00 H new ATOM 0 HE2 MET A 18 3.038 15.587 -1.275 1.00 0.00 H new ATOM 0 HE3 MET A 18 2.063 17.063 -1.475 1.00 0.00 H new ATOM 267 N ILE A 19 2.488 13.919 -8.500 1.00 0.00 N ATOM 268 CA ILE A 19 2.218 12.832 -9.478 1.00 0.00 C ATOM 269 C ILE A 19 3.590 12.441 -10.092 1.00 0.00 C ATOM 270 O ILE A 19 3.817 11.270 -10.423 1.00 0.00 O ATOM 271 CB ILE A 19 1.116 13.242 -10.525 1.00 0.00 C ATOM 272 CG1 ILE A 19 -0.323 12.833 -10.077 1.00 0.00 C ATOM 273 CG2 ILE A 19 1.407 12.687 -11.946 1.00 0.00 C ATOM 274 CD1 ILE A 19 -1.440 13.840 -10.400 1.00 0.00 C ATOM 0 H ILE A 19 2.046 14.806 -8.743 1.00 0.00 H new ATOM 0 HA ILE A 19 1.785 11.954 -9.000 1.00 0.00 H new ATOM 0 HB ILE A 19 1.158 14.330 -10.571 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.572 11.881 -10.546 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.313 12.664 -9.000 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.616 13.000 -12.628 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.363 13.073 -12.299 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.446 11.598 -11.910 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.394 13.452 -10.044 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.228 14.789 -9.908 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.491 13.994 -11.478 1.00 0.00 H new ATOM 286 N ALA A 20 4.483 13.432 -10.271 1.00 0.00 N ATOM 287 CA ALA A 20 5.800 13.232 -10.934 1.00 0.00 C ATOM 288 C ALA A 20 6.677 12.251 -10.109 1.00 0.00 C ATOM 289 O ALA A 20 7.504 11.521 -10.668 1.00 0.00 O ATOM 290 CB ALA A 20 6.484 14.602 -11.113 1.00 0.00 C ATOM 0 H ALA A 20 4.320 14.391 -9.965 1.00 0.00 H new ATOM 0 HA ALA A 20 5.659 12.785 -11.918 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.450 14.466 -11.598 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.856 15.245 -11.730 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.630 15.066 -10.138 1.00 0.00 H new ATOM 296 N GLU A 21 6.504 12.271 -8.775 1.00 0.00 N ATOM 297 CA GLU A 21 7.336 11.472 -7.836 1.00 0.00 C ATOM 298 C GLU A 21 7.061 9.964 -8.083 1.00 0.00 C ATOM 299 O GLU A 21 7.946 9.121 -7.884 1.00 0.00 O ATOM 300 CB GLU A 21 7.072 11.920 -6.369 1.00 0.00 C ATOM 301 CG GLU A 21 7.513 13.356 -5.996 1.00 0.00 C ATOM 302 CD GLU A 21 7.225 13.743 -4.542 1.00 0.00 C ATOM 303 OE1 GLU A 21 8.044 13.415 -3.655 1.00 0.00 O ATOM 304 OE2 GLU A 21 6.181 14.379 -4.280 1.00 0.00 O ATOM 0 H GLU A 21 5.791 12.835 -8.313 1.00 0.00 H new ATOM 0 HA GLU A 21 8.398 11.643 -8.014 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.004 11.829 -6.171 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.580 11.223 -5.703 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.582 13.456 -6.182 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.008 14.062 -6.655 1.00 0.00 H new ATOM 311 N PHE A 22 5.820 9.634 -8.488 1.00 0.00 N ATOM 312 CA PHE A 22 5.360 8.229 -8.655 1.00 0.00 C ATOM 313 C PHE A 22 5.557 7.790 -10.132 1.00 0.00 C ATOM 314 O PHE A 22 5.708 6.592 -10.409 1.00 0.00 O ATOM 315 CB PHE A 22 3.876 8.089 -8.196 1.00 0.00 C ATOM 316 CG PHE A 22 3.593 8.553 -6.752 1.00 0.00 C ATOM 317 CD1 PHE A 22 4.643 8.697 -5.837 1.00 0.00 C ATOM 318 CD2 PHE A 22 2.287 8.857 -6.349 1.00 0.00 C ATOM 319 CE1 PHE A 22 4.397 9.193 -4.559 1.00 0.00 C ATOM 320 CE2 PHE A 22 2.044 9.349 -5.068 1.00 0.00 C ATOM 321 CZ PHE A 22 3.100 9.523 -4.177 1.00 0.00 C ATOM 0 H PHE A 22 5.105 10.327 -8.710 1.00 0.00 H new ATOM 0 HA PHE A 22 5.956 7.568 -8.026 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.246 8.662 -8.876 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.579 7.044 -8.291 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.647 8.422 -6.123 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.465 8.710 -7.034 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.213 9.322 -3.864 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.037 9.595 -4.766 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.912 9.915 -3.188 1.00 0.00 H new ATOM 331 N LYS A 23 5.525 8.755 -11.070 1.00 0.00 N ATOM 332 CA LYS A 23 5.579 8.484 -12.532 1.00 0.00 C ATOM 333 C LYS A 23 7.016 8.011 -12.884 1.00 0.00 C ATOM 334 O LYS A 23 7.202 7.164 -13.767 1.00 0.00 O ATOM 335 CB LYS A 23 5.186 9.744 -13.359 1.00 0.00 C ATOM 336 CG LYS A 23 6.309 10.756 -13.690 1.00 0.00 C ATOM 337 CD LYS A 23 7.172 10.394 -14.917 1.00 0.00 C ATOM 338 CE LYS A 23 6.485 10.741 -16.250 1.00 0.00 C ATOM 339 NZ LYS A 23 6.306 9.546 -17.093 1.00 0.00 N ATOM 0 H LYS A 23 5.461 9.747 -10.843 1.00 0.00 H new ATOM 0 HA LYS A 23 4.858 7.707 -12.787 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.748 9.407 -14.299 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.404 10.274 -12.815 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.858 11.734 -13.858 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.961 10.850 -12.821 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.124 10.922 -14.855 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.397 9.328 -14.896 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.515 11.197 -16.053 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.081 11.480 -16.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.840 9.816 -17.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.234 9.126 -17.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.717 8.852 -16.591 1.00 0.00 H new ATOM 353 N ALA A 24 8.023 8.592 -12.206 1.00 0.00 N ATOM 354 CA ALA A 24 9.452 8.233 -12.412 1.00 0.00 C ATOM 355 C ALA A 24 9.660 6.716 -12.150 1.00 0.00 C ATOM 356 O ALA A 24 10.270 6.010 -12.961 1.00 0.00 O ATOM 357 CB ALA A 24 10.328 9.103 -11.491 1.00 0.00 C ATOM 0 H ALA A 24 7.879 9.318 -11.504 1.00 0.00 H new ATOM 0 HA ALA A 24 9.746 8.427 -13.443 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.377 8.845 -11.637 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.176 10.155 -11.732 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.052 8.925 -10.452 1.00 0.00 H new ATOM 363 N ALA A 25 9.117 6.228 -11.019 1.00 0.00 N ATOM 364 CA ALA A 25 9.272 4.813 -10.588 1.00 0.00 C ATOM 365 C ALA A 25 8.400 3.878 -11.471 1.00 0.00 C ATOM 366 O ALA A 25 8.744 2.708 -11.679 1.00 0.00 O ATOM 367 CB ALA A 25 8.904 4.700 -9.096 1.00 0.00 C ATOM 0 H ALA A 25 8.561 6.793 -10.378 1.00 0.00 H new ATOM 0 HA ALA A 25 10.307 4.497 -10.714 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.015 3.665 -8.771 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.565 5.337 -8.509 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.871 5.017 -8.951 1.00 0.00 H new ATOM 373 N PHE A 26 7.259 4.404 -11.955 1.00 0.00 N ATOM 374 CA PHE A 26 6.261 3.609 -12.720 1.00 0.00 C ATOM 375 C PHE A 26 6.981 2.975 -13.942 1.00 0.00 C ATOM 376 O PHE A 26 6.768 1.799 -14.260 1.00 0.00 O ATOM 377 CB PHE A 26 5.047 4.489 -13.146 1.00 0.00 C ATOM 378 CG PHE A 26 4.288 3.995 -14.398 1.00 0.00 C ATOM 379 CD1 PHE A 26 4.675 4.421 -15.674 1.00 0.00 C ATOM 380 CD2 PHE A 26 3.194 3.133 -14.266 1.00 0.00 C ATOM 381 CE1 PHE A 26 3.976 3.992 -16.800 1.00 0.00 C ATOM 382 CE2 PHE A 26 2.496 2.707 -15.393 1.00 0.00 C ATOM 383 CZ PHE A 26 2.887 3.136 -16.659 1.00 0.00 C ATOM 0 H PHE A 26 6.998 5.382 -11.832 1.00 0.00 H new ATOM 0 HA PHE A 26 5.853 2.816 -12.094 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.346 4.542 -12.313 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.400 5.503 -13.331 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.519 5.085 -15.786 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.890 2.797 -13.286 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.279 4.323 -17.782 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.651 2.043 -15.285 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.345 2.804 -17.532 1.00 0.00 H new ATOM 393 N ASP A 27 7.809 3.782 -14.632 1.00 0.00 N ATOM 394 CA ASP A 27 8.558 3.336 -15.837 1.00 0.00 C ATOM 395 C ASP A 27 9.477 2.147 -15.439 1.00 0.00 C ATOM 396 O ASP A 27 9.634 1.192 -16.209 1.00 0.00 O ATOM 397 CB ASP A 27 9.343 4.508 -16.493 1.00 0.00 C ATOM 398 CG ASP A 27 8.493 5.649 -17.077 1.00 0.00 C ATOM 399 OD1 ASP A 27 7.259 5.484 -17.200 1.00 0.00 O ATOM 400 OD2 ASP A 27 9.059 6.711 -17.419 1.00 0.00 O ATOM 0 H ASP A 27 7.981 4.755 -14.378 1.00 0.00 H new ATOM 0 HA ASP A 27 7.858 2.995 -16.599 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.017 4.929 -15.747 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.965 4.101 -17.290 1.00 0.00 H new ATOM 405 N MET A 28 10.051 2.214 -14.221 1.00 0.00 N ATOM 406 CA MET A 28 11.017 1.192 -13.729 1.00 0.00 C ATOM 407 C MET A 28 10.318 -0.193 -13.806 1.00 0.00 C ATOM 408 O MET A 28 10.910 -1.176 -14.264 1.00 0.00 O ATOM 409 CB MET A 28 11.525 1.513 -12.294 1.00 0.00 C ATOM 410 CG MET A 28 12.918 0.961 -11.937 1.00 0.00 C ATOM 411 SD MET A 28 13.385 1.487 -10.273 1.00 0.00 S ATOM 412 CE MET A 28 13.007 3.250 -10.340 1.00 0.00 C ATOM 0 H MET A 28 9.867 2.963 -13.554 1.00 0.00 H new ATOM 0 HA MET A 28 11.909 1.191 -14.356 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.541 2.596 -12.168 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.804 1.119 -11.577 1.00 0.00 H new ATOM 0 HG2 MET A 28 12.912 -0.127 -11.995 1.00 0.00 H new ATOM 0 HG3 MET A 28 13.654 1.315 -12.659 1.00 0.00 H new ATOM 0 HE1 MET A 28 13.725 3.799 -9.731 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.067 3.596 -11.372 1.00 0.00 H new ATOM 0 HE3 MET A 28 12.001 3.421 -9.958 1.00 0.00 H new ATOM 422 N PHE A 29 9.061 -0.254 -13.324 1.00 0.00 N ATOM 423 CA PHE A 29 8.282 -1.520 -13.257 1.00 0.00 C ATOM 424 C PHE A 29 7.940 -1.964 -14.705 1.00 0.00 C ATOM 425 O PHE A 29 7.861 -3.164 -14.996 1.00 0.00 O ATOM 426 CB PHE A 29 7.005 -1.339 -12.384 1.00 0.00 C ATOM 427 CG PHE A 29 7.260 -0.917 -10.923 1.00 0.00 C ATOM 428 CD1 PHE A 29 8.566 -0.858 -10.423 1.00 0.00 C ATOM 429 CD2 PHE A 29 6.189 -0.601 -10.078 1.00 0.00 C ATOM 430 CE1 PHE A 29 8.799 -0.452 -9.110 1.00 0.00 C ATOM 431 CE2 PHE A 29 6.425 -0.196 -8.766 1.00 0.00 C ATOM 432 CZ PHE A 29 7.729 -0.104 -8.289 1.00 0.00 C ATOM 0 H PHE A 29 8.556 0.559 -12.972 1.00 0.00 H new ATOM 0 HA PHE A 29 8.874 -2.300 -12.779 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.366 -0.592 -12.855 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.450 -2.277 -12.382 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.397 -1.128 -11.057 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.176 -0.672 -10.445 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.809 -0.407 -8.729 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.595 0.047 -8.119 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.912 0.238 -7.281 1.00 0.00 H new ATOM 442 N ASP A 30 7.712 -0.980 -15.595 1.00 0.00 N ATOM 443 CA ASP A 30 7.308 -1.235 -17.003 1.00 0.00 C ATOM 444 C ASP A 30 8.444 -2.022 -17.712 1.00 0.00 C ATOM 445 O ASP A 30 8.355 -3.244 -17.882 1.00 0.00 O ATOM 446 CB ASP A 30 6.940 0.084 -17.744 1.00 0.00 C ATOM 447 CG ASP A 30 6.485 -0.065 -19.206 1.00 0.00 C ATOM 448 OD1 ASP A 30 5.775 -1.045 -19.522 1.00 0.00 O ATOM 449 OD2 ASP A 30 6.840 0.797 -20.040 1.00 0.00 O ATOM 0 H ASP A 30 7.800 0.010 -15.367 1.00 0.00 H new ATOM 0 HA ASP A 30 6.402 -1.840 -17.020 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.146 0.581 -17.186 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.807 0.744 -17.720 1.00 0.00 H new ATOM 454 N ALA A 31 9.492 -1.298 -18.146 1.00 0.00 N ATOM 455 CA ALA A 31 10.662 -1.898 -18.843 1.00 0.00 C ATOM 456 C ALA A 31 10.295 -2.276 -20.306 1.00 0.00 C ATOM 457 O ALA A 31 10.894 -3.185 -20.891 1.00 0.00 O ATOM 458 CB ALA A 31 11.146 -3.123 -18.043 1.00 0.00 C ATOM 0 H ALA A 31 9.559 -0.287 -18.028 1.00 0.00 H new ATOM 0 HA ALA A 31 11.473 -1.171 -18.896 1.00 0.00 H new ATOM 0 HB1 ALA A 31 12.004 -3.570 -18.546 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.436 -2.811 -17.040 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.342 -3.856 -17.977 1.00 0.00 H new ATOM 464 N ASP A 32 9.306 -1.564 -20.877 1.00 0.00 N ATOM 465 CA ASP A 32 8.900 -1.717 -22.299 1.00 0.00 C ATOM 466 C ASP A 32 9.136 -0.369 -23.032 1.00 0.00 C ATOM 467 O ASP A 32 10.145 -0.193 -23.726 1.00 0.00 O ATOM 468 CB ASP A 32 7.432 -2.220 -22.427 1.00 0.00 C ATOM 469 CG ASP A 32 7.250 -3.739 -22.590 1.00 0.00 C ATOM 470 OD1 ASP A 32 8.213 -4.422 -23.003 1.00 0.00 O ATOM 471 OD2 ASP A 32 6.143 -4.250 -22.311 1.00 0.00 O ATOM 0 H ASP A 32 8.762 -0.865 -20.371 1.00 0.00 H new ATOM 0 HA ASP A 32 9.512 -2.483 -22.774 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.882 -1.901 -21.542 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.973 -1.725 -23.283 1.00 0.00 H new ATOM 476 N GLY A 33 8.177 0.567 -22.890 1.00 0.00 N ATOM 477 CA GLY A 33 8.244 1.898 -23.551 1.00 0.00 C ATOM 478 C GLY A 33 7.818 3.037 -22.587 1.00 0.00 C ATOM 479 O GLY A 33 8.581 3.977 -22.334 1.00 0.00 O ATOM 0 H GLY A 33 7.341 0.431 -22.322 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.260 2.079 -23.903 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.597 1.902 -24.428 1.00 0.00 H new ATOM 483 N GLY A 34 6.596 2.923 -22.028 1.00 0.00 N ATOM 484 CA GLY A 34 6.068 3.903 -21.046 1.00 0.00 C ATOM 485 C GLY A 34 4.607 4.281 -21.396 1.00 0.00 C ATOM 486 O GLY A 34 4.329 5.387 -21.875 1.00 0.00 O ATOM 0 H GLY A 34 5.952 2.161 -22.238 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.111 3.481 -20.042 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.691 4.797 -21.043 1.00 0.00 H new ATOM 490 N GLY A 35 3.675 3.335 -21.159 1.00 0.00 N ATOM 491 CA GLY A 35 2.248 3.500 -21.534 1.00 0.00 C ATOM 492 C GLY A 35 1.348 2.640 -20.609 1.00 0.00 C ATOM 493 O GLY A 35 0.297 3.100 -20.144 1.00 0.00 O ATOM 0 H GLY A 35 3.883 2.444 -20.708 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.963 4.549 -21.457 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.101 3.205 -22.573 1.00 0.00 H new ATOM 497 N ASP A 36 1.777 1.388 -20.359 1.00 0.00 N ATOM 498 CA ASP A 36 1.060 0.441 -19.466 1.00 0.00 C ATOM 499 C ASP A 36 2.014 -0.735 -19.119 1.00 0.00 C ATOM 500 O ASP A 36 2.877 -1.105 -19.924 1.00 0.00 O ATOM 501 CB ASP A 36 -0.280 -0.040 -20.095 1.00 0.00 C ATOM 502 CG ASP A 36 -0.354 -0.013 -21.631 1.00 0.00 C ATOM 503 OD1 ASP A 36 0.509 -0.634 -22.291 1.00 0.00 O ATOM 504 OD2 ASP A 36 -1.271 0.636 -22.180 1.00 0.00 O ATOM 0 H ASP A 36 2.628 1.000 -20.767 1.00 0.00 H new ATOM 0 HA ASP A 36 0.781 0.948 -18.542 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.470 -1.060 -19.760 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.086 0.580 -19.702 1.00 0.00 H new ATOM 509 N ILE A 37 1.863 -1.292 -17.902 1.00 0.00 N ATOM 510 CA ILE A 37 2.635 -2.475 -17.435 1.00 0.00 C ATOM 511 C ILE A 37 1.821 -3.764 -17.731 1.00 0.00 C ATOM 512 O ILE A 37 0.927 -3.763 -18.586 1.00 0.00 O ATOM 513 CB ILE A 37 3.101 -2.381 -15.934 1.00 0.00 C ATOM 514 CG1 ILE A 37 3.031 -0.957 -15.299 1.00 0.00 C ATOM 515 CG2 ILE A 37 4.498 -3.024 -15.742 1.00 0.00 C ATOM 516 CD1 ILE A 37 3.218 -0.893 -13.774 1.00 0.00 C ATOM 0 H ILE A 37 1.203 -0.939 -17.209 1.00 0.00 H new ATOM 0 HA ILE A 37 3.569 -2.506 -17.996 1.00 0.00 H new ATOM 0 HB ILE A 37 2.362 -2.958 -15.377 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.794 -0.334 -15.766 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.065 -0.517 -15.546 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.794 -2.945 -14.696 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.457 -4.075 -16.029 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.226 -2.505 -16.366 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.151 0.143 -13.442 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.440 -1.481 -13.287 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.196 -1.295 -13.510 1.00 0.00 H new ATOM 528 N SER A 38 2.121 -4.851 -16.994 1.00 0.00 N ATOM 529 CA SER A 38 1.383 -6.138 -17.113 1.00 0.00 C ATOM 530 C SER A 38 1.603 -6.991 -15.834 1.00 0.00 C ATOM 531 O SER A 38 2.057 -6.479 -14.804 1.00 0.00 O ATOM 532 CB SER A 38 1.835 -6.873 -18.396 1.00 0.00 C ATOM 533 OG SER A 38 0.767 -6.993 -19.330 1.00 0.00 O ATOM 0 H SER A 38 2.872 -4.870 -16.304 1.00 0.00 H new ATOM 0 HA SER A 38 0.312 -5.954 -17.198 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.662 -6.332 -18.855 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.207 -7.864 -18.137 1.00 0.00 H new ATOM 0 HG SER A 38 1.084 -7.460 -20.131 1.00 0.00 H new ATOM 539 N THR A 39 1.284 -8.295 -15.929 1.00 0.00 N ATOM 540 CA THR A 39 1.428 -9.259 -14.806 1.00 0.00 C ATOM 541 C THR A 39 2.899 -9.754 -14.758 1.00 0.00 C ATOM 542 O THR A 39 3.500 -9.844 -13.679 1.00 0.00 O ATOM 543 CB THR A 39 0.400 -10.431 -14.902 1.00 0.00 C ATOM 544 OG1 THR A 39 0.114 -10.739 -16.264 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.937 -10.193 -14.177 1.00 0.00 C ATOM 0 H THR A 39 0.919 -8.717 -16.783 1.00 0.00 H new ATOM 0 HA THR A 39 1.198 -8.756 -13.867 1.00 0.00 H new ATOM 0 HB THR A 39 0.894 -11.259 -14.393 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.530 -11.476 -16.304 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.580 -11.064 -14.304 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.751 -10.030 -13.115 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.428 -9.316 -14.598 1.00 0.00 H new ATOM 553 N LYS A 40 3.467 -10.074 -15.936 1.00 0.00 N ATOM 554 CA LYS A 40 4.867 -10.565 -16.054 1.00 0.00 C ATOM 555 C LYS A 40 5.829 -9.432 -15.606 1.00 0.00 C ATOM 556 O LYS A 40 6.670 -9.630 -14.721 1.00 0.00 O ATOM 557 CB LYS A 40 5.115 -11.061 -17.508 1.00 0.00 C ATOM 558 CG LYS A 40 6.546 -11.556 -17.839 1.00 0.00 C ATOM 559 CD LYS A 40 6.727 -12.647 -18.923 1.00 0.00 C ATOM 560 CE LYS A 40 8.170 -12.921 -19.398 1.00 0.00 C ATOM 561 NZ LYS A 40 8.249 -13.522 -20.743 1.00 0.00 N ATOM 0 H LYS A 40 2.980 -10.003 -16.829 1.00 0.00 H new ATOM 0 HA LYS A 40 5.053 -11.418 -15.402 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.418 -11.873 -17.714 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.869 -10.248 -18.192 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.133 -10.689 -18.142 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.987 -11.932 -16.916 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.312 -13.579 -18.540 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.131 -12.366 -19.791 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.728 -11.984 -19.395 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.658 -13.585 -18.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.246 -13.678 -20.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.745 -14.431 -20.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.812 -12.881 -21.436 1.00 0.00 H new ATOM 575 N GLU A 41 5.690 -8.248 -16.232 1.00 0.00 N ATOM 576 CA GLU A 41 6.599 -7.095 -16.002 1.00 0.00 C ATOM 577 C GLU A 41 6.614 -6.753 -14.487 1.00 0.00 C ATOM 578 O GLU A 41 7.683 -6.645 -13.875 1.00 0.00 O ATOM 579 CB GLU A 41 6.199 -5.879 -16.887 1.00 0.00 C ATOM 580 CG GLU A 41 6.077 -6.107 -18.415 1.00 0.00 C ATOM 581 CD GLU A 41 5.383 -4.967 -19.167 1.00 0.00 C ATOM 582 OE1 GLU A 41 5.512 -3.797 -18.744 1.00 0.00 O ATOM 583 OE2 GLU A 41 4.703 -5.237 -20.182 1.00 0.00 O ATOM 0 H GLU A 41 4.951 -8.058 -16.909 1.00 0.00 H new ATOM 0 HA GLU A 41 7.613 -7.361 -16.299 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.241 -5.503 -16.527 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.933 -5.090 -16.724 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.075 -6.247 -18.831 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.526 -7.031 -18.590 1.00 0.00 H new ATOM 590 N LEU A 42 5.414 -6.579 -13.904 1.00 0.00 N ATOM 591 CA LEU A 42 5.251 -6.140 -12.493 1.00 0.00 C ATOM 592 C LEU A 42 5.909 -7.207 -11.577 1.00 0.00 C ATOM 593 O LEU A 42 6.524 -6.874 -10.557 1.00 0.00 O ATOM 594 CB LEU A 42 3.746 -5.928 -12.147 1.00 0.00 C ATOM 595 CG LEU A 42 3.410 -5.056 -10.902 1.00 0.00 C ATOM 596 CD1 LEU A 42 2.147 -5.572 -10.184 1.00 0.00 C ATOM 597 CD2 LEU A 42 4.583 -4.970 -9.904 1.00 0.00 C ATOM 0 H LEU A 42 4.530 -6.736 -14.389 1.00 0.00 H new ATOM 0 HA LEU A 42 5.741 -5.179 -12.337 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.262 -5.477 -13.014 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.293 -6.909 -12.003 1.00 0.00 H new ATOM 0 HG LEU A 42 3.222 -4.050 -11.277 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.938 -4.943 -9.319 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.300 -5.540 -10.869 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.309 -6.599 -9.855 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.294 -4.350 -9.055 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.836 -5.970 -9.553 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.449 -4.529 -10.397 1.00 0.00 H new ATOM 609 N GLY A 43 5.747 -8.493 -11.943 1.00 0.00 N ATOM 610 CA GLY A 43 6.214 -9.635 -11.119 1.00 0.00 C ATOM 611 C GLY A 43 7.739 -9.541 -10.857 1.00 0.00 C ATOM 612 O GLY A 43 8.231 -10.006 -9.819 1.00 0.00 O ATOM 0 H GLY A 43 5.292 -8.773 -12.812 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.678 -9.647 -10.170 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.985 -10.572 -11.626 1.00 0.00 H new ATOM 616 N THR A 44 8.477 -8.943 -11.811 1.00 0.00 N ATOM 617 CA THR A 44 9.961 -8.873 -11.773 1.00 0.00 C ATOM 618 C THR A 44 10.391 -7.873 -10.663 1.00 0.00 C ATOM 619 O THR A 44 11.273 -8.175 -9.850 1.00 0.00 O ATOM 620 CB THR A 44 10.567 -8.520 -13.168 1.00 0.00 C ATOM 621 OG1 THR A 44 10.718 -9.694 -13.962 1.00 0.00 O ATOM 622 CG2 THR A 44 11.925 -7.794 -13.129 1.00 0.00 C ATOM 0 H THR A 44 8.068 -8.494 -12.631 1.00 0.00 H new ATOM 0 HA THR A 44 10.361 -9.857 -11.528 1.00 0.00 H new ATOM 0 HB THR A 44 9.848 -7.826 -13.602 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.097 -9.453 -14.833 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.260 -7.594 -14.147 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.819 -6.852 -12.590 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.659 -8.421 -12.622 1.00 0.00 H new ATOM 630 N VAL A 45 9.774 -6.676 -10.667 1.00 0.00 N ATOM 631 CA VAL A 45 10.140 -5.561 -9.754 1.00 0.00 C ATOM 632 C VAL A 45 9.856 -6.033 -8.301 1.00 0.00 C ATOM 633 O VAL A 45 10.658 -5.783 -7.391 1.00 0.00 O ATOM 634 CB VAL A 45 9.412 -4.224 -10.139 1.00 0.00 C ATOM 635 CG1 VAL A 45 8.612 -3.612 -8.964 1.00 0.00 C ATOM 636 CG2 VAL A 45 10.349 -3.127 -10.704 1.00 0.00 C ATOM 0 H VAL A 45 9.008 -6.449 -11.300 1.00 0.00 H new ATOM 0 HA VAL A 45 11.199 -5.321 -9.844 1.00 0.00 H new ATOM 0 HB VAL A 45 8.730 -4.536 -10.930 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.132 -2.690 -9.292 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.852 -4.320 -8.634 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.288 -3.394 -8.137 1.00 0.00 H new ATOM 0 HG21 VAL A 45 9.765 -2.238 -10.944 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.105 -2.875 -9.960 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.837 -3.495 -11.606 1.00 0.00 H new ATOM 646 N MET A 46 8.698 -6.685 -8.094 1.00 0.00 N ATOM 647 CA MET A 46 8.250 -7.141 -6.751 1.00 0.00 C ATOM 648 C MET A 46 9.309 -8.141 -6.213 1.00 0.00 C ATOM 649 O MET A 46 10.040 -7.835 -5.264 1.00 0.00 O ATOM 650 CB MET A 46 6.825 -7.760 -6.807 1.00 0.00 C ATOM 651 CG MET A 46 5.662 -6.758 -6.941 1.00 0.00 C ATOM 652 SD MET A 46 4.375 -7.136 -5.730 1.00 0.00 S ATOM 653 CE MET A 46 3.375 -5.635 -5.798 1.00 0.00 C ATOM 0 H MET A 46 8.045 -6.913 -8.843 1.00 0.00 H new ATOM 0 HA MET A 46 8.173 -6.294 -6.069 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.783 -8.451 -7.649 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.670 -8.349 -5.903 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.027 -5.742 -6.790 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.248 -6.801 -7.949 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.541 -5.722 -5.102 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.988 -4.777 -5.524 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.991 -5.499 -6.809 1.00 0.00 H new ATOM 663 N ARG A 47 9.361 -9.340 -6.822 1.00 0.00 N ATOM 664 CA ARG A 47 10.347 -10.397 -6.473 1.00 0.00 C ATOM 665 C ARG A 47 11.645 -10.204 -7.307 1.00 0.00 C ATOM 666 O ARG A 47 12.187 -11.174 -7.856 1.00 0.00 O ATOM 667 CB ARG A 47 9.735 -11.806 -6.718 1.00 0.00 C ATOM 668 CG ARG A 47 10.234 -12.908 -5.756 1.00 0.00 C ATOM 669 CD ARG A 47 9.555 -14.272 -5.989 1.00 0.00 C ATOM 670 NE ARG A 47 8.450 -14.519 -5.026 1.00 0.00 N ATOM 671 CZ ARG A 47 7.806 -15.695 -4.874 1.00 0.00 C ATOM 672 NH1 ARG A 47 8.076 -16.792 -5.580 1.00 0.00 N ATOM 673 NH2 ARG A 47 6.847 -15.764 -3.968 1.00 0.00 N ATOM 0 H ARG A 47 8.723 -9.610 -7.571 1.00 0.00 H new ATOM 0 HA ARG A 47 10.599 -10.316 -5.416 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.651 -11.735 -6.634 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.957 -12.110 -7.741 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.312 -13.022 -5.872 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.056 -12.592 -4.728 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.165 -14.313 -7.006 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.297 -15.066 -5.900 1.00 0.00 H new ATOM 0 HE ARG A 47 8.156 -13.741 -4.436 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.810 -16.775 -6.288 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.549 -17.649 -5.413 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.613 -14.943 -3.409 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.340 -16.638 -3.827 1.00 0.00 H new ATOM 687 N MET A 48 12.148 -8.957 -7.366 1.00 0.00 N ATOM 688 CA MET A 48 13.437 -8.627 -8.030 1.00 0.00 C ATOM 689 C MET A 48 14.585 -9.146 -7.121 1.00 0.00 C ATOM 690 O MET A 48 15.611 -9.629 -7.615 1.00 0.00 O ATOM 691 CB MET A 48 13.554 -7.104 -8.329 1.00 0.00 C ATOM 692 CG MET A 48 14.401 -6.269 -7.352 1.00 0.00 C ATOM 693 SD MET A 48 15.909 -5.699 -8.170 1.00 0.00 S ATOM 694 CE MET A 48 15.532 -3.952 -8.425 1.00 0.00 C ATOM 0 H MET A 48 11.680 -8.148 -6.958 1.00 0.00 H new ATOM 0 HA MET A 48 13.498 -9.116 -9.002 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.972 -6.985 -9.329 1.00 0.00 H new ATOM 0 HB3 MET A 48 12.548 -6.684 -8.352 1.00 0.00 H new ATOM 0 HG2 MET A 48 13.825 -5.414 -6.997 1.00 0.00 H new ATOM 0 HG3 MET A 48 14.656 -6.867 -6.477 1.00 0.00 H new ATOM 0 HE1 MET A 48 16.372 -3.467 -8.922 1.00 0.00 H new ATOM 0 HE2 MET A 48 14.641 -3.859 -9.046 1.00 0.00 H new ATOM 0 HE3 MET A 48 15.355 -3.474 -7.462 1.00 0.00 H new ATOM 704 N LEU A 49 14.382 -9.061 -5.793 1.00 0.00 N ATOM 705 CA LEU A 49 15.411 -9.439 -4.787 1.00 0.00 C ATOM 706 C LEU A 49 15.091 -10.873 -4.289 1.00 0.00 C ATOM 707 O LEU A 49 14.828 -11.093 -3.101 1.00 0.00 O ATOM 708 CB LEU A 49 15.446 -8.412 -3.615 1.00 0.00 C ATOM 709 CG LEU A 49 14.081 -7.933 -3.041 1.00 0.00 C ATOM 710 CD1 LEU A 49 13.636 -6.607 -3.690 1.00 0.00 C ATOM 711 CD2 LEU A 49 12.970 -8.992 -3.197 1.00 0.00 C ATOM 0 H LEU A 49 13.509 -8.732 -5.382 1.00 0.00 H new ATOM 0 HA LEU A 49 16.404 -9.426 -5.237 1.00 0.00 H new ATOM 0 HB2 LEU A 49 16.019 -8.852 -2.799 1.00 0.00 H new ATOM 0 HB3 LEU A 49 15.996 -7.534 -3.953 1.00 0.00 H new ATOM 0 HG LEU A 49 14.239 -7.772 -1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 49 12.679 -6.299 -3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 49 14.383 -5.838 -3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 49 13.530 -6.746 -4.766 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.039 -8.607 -2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.828 -9.218 -4.254 1.00 0.00 H new ATOM 0 HD23 LEU A 49 13.256 -9.900 -2.667 1.00 0.00 H new ATOM 723 N GLY A 50 15.147 -11.853 -5.214 1.00 0.00 N ATOM 724 CA GLY A 50 14.903 -13.280 -4.886 1.00 0.00 C ATOM 725 C GLY A 50 15.088 -14.161 -6.147 1.00 0.00 C ATOM 726 O GLY A 50 16.202 -14.612 -6.446 1.00 0.00 O ATOM 0 H GLY A 50 15.359 -11.685 -6.197 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.590 -13.603 -4.104 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.894 -13.402 -4.493 1.00 0.00 H new ATOM 730 N GLN A 51 13.983 -14.402 -6.876 1.00 0.00 N ATOM 731 CA GLN A 51 13.951 -15.316 -8.049 1.00 0.00 C ATOM 732 C GLN A 51 13.180 -14.609 -9.197 1.00 0.00 C ATOM 733 O GLN A 51 12.983 -13.389 -9.171 1.00 0.00 O ATOM 734 CB GLN A 51 13.313 -16.678 -7.651 1.00 0.00 C ATOM 735 CG GLN A 51 13.799 -17.296 -6.317 1.00 0.00 C ATOM 736 CD GLN A 51 13.192 -16.653 -5.058 1.00 0.00 C ATOM 737 OE1 GLN A 51 13.895 -16.345 -4.096 1.00 0.00 O ATOM 738 NE2 GLN A 51 11.886 -16.432 -5.037 1.00 0.00 N ATOM 0 H GLN A 51 13.081 -13.971 -6.673 1.00 0.00 H new ATOM 0 HA GLN A 51 14.960 -15.537 -8.397 1.00 0.00 H new ATOM 0 HB2 GLN A 51 12.232 -16.547 -7.594 1.00 0.00 H new ATOM 0 HB3 GLN A 51 13.506 -17.393 -8.450 1.00 0.00 H new ATOM 0 HG2 GLN A 51 13.562 -18.360 -6.316 1.00 0.00 H new ATOM 0 HG3 GLN A 51 14.884 -17.211 -6.266 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.312 -16.691 -5.839 1.00 0.00 H new ATOM 0 HE22 GLN A 51 11.454 -16.003 -4.218 1.00 0.00 H new ATOM 747 N ASN A 52 12.747 -15.397 -10.201 1.00 0.00 N ATOM 748 CA ASN A 52 11.899 -14.899 -11.316 1.00 0.00 C ATOM 749 C ASN A 52 10.539 -15.692 -11.358 1.00 0.00 C ATOM 750 O ASN A 52 10.447 -16.677 -12.098 1.00 0.00 O ATOM 751 CB ASN A 52 12.696 -15.003 -12.644 1.00 0.00 C ATOM 752 CG ASN A 52 12.586 -13.768 -13.565 1.00 0.00 C ATOM 753 OD1 ASN A 52 11.629 -12.998 -13.488 1.00 0.00 O ATOM 754 ND2 ASN A 52 13.549 -13.560 -14.451 1.00 0.00 N ATOM 0 H ASN A 52 12.970 -16.390 -10.267 1.00 0.00 H new ATOM 0 HA ASN A 52 11.644 -13.850 -11.163 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.747 -15.170 -12.408 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.349 -15.879 -13.192 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.501 -12.756 -15.077 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.338 -14.204 -14.507 1.00 0.00 H new ATOM 761 N PRO A 53 9.468 -15.309 -10.591 1.00 0.00 N ATOM 762 CA PRO A 53 8.132 -15.952 -10.654 1.00 0.00 C ATOM 763 C PRO A 53 7.635 -16.128 -12.117 1.00 0.00 C ATOM 764 O PRO A 53 8.198 -15.547 -13.052 1.00 0.00 O ATOM 765 CB PRO A 53 7.266 -14.994 -9.811 1.00 0.00 C ATOM 766 CG PRO A 53 8.210 -14.257 -8.859 1.00 0.00 C ATOM 767 CD PRO A 53 9.541 -14.201 -9.598 1.00 0.00 C ATOM 0 HA PRO A 53 8.111 -16.973 -10.273 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.736 -14.289 -10.451 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.511 -15.547 -9.253 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.841 -13.257 -8.632 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.306 -14.785 -7.910 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.681 -13.238 -10.089 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.379 -14.336 -8.915 1.00 0.00 H new ATOM 775 N THR A 54 6.553 -16.911 -12.287 1.00 0.00 N ATOM 776 CA THR A 54 5.944 -17.181 -13.617 1.00 0.00 C ATOM 777 C THR A 54 4.760 -16.199 -13.834 1.00 0.00 C ATOM 778 O THR A 54 4.359 -15.473 -12.916 1.00 0.00 O ATOM 779 CB THR A 54 5.525 -18.676 -13.779 1.00 0.00 C ATOM 780 OG1 THR A 54 5.657 -19.092 -15.136 1.00 0.00 O ATOM 781 CG2 THR A 54 4.094 -19.010 -13.316 1.00 0.00 C ATOM 0 H THR A 54 6.074 -17.375 -11.515 1.00 0.00 H new ATOM 0 HA THR A 54 6.687 -17.009 -14.395 1.00 0.00 H new ATOM 0 HB THR A 54 6.207 -19.215 -13.121 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.392 -20.032 -15.217 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.900 -20.072 -13.470 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.989 -18.772 -12.258 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.379 -18.423 -13.893 1.00 0.00 H new ATOM 789 N LYS A 55 4.209 -16.191 -15.063 1.00 0.00 N ATOM 790 CA LYS A 55 3.143 -15.239 -15.472 1.00 0.00 C ATOM 791 C LYS A 55 1.841 -15.619 -14.716 1.00 0.00 C ATOM 792 O LYS A 55 1.116 -14.744 -14.227 1.00 0.00 O ATOM 793 CB LYS A 55 2.965 -15.258 -17.021 1.00 0.00 C ATOM 794 CG LYS A 55 4.053 -14.553 -17.866 1.00 0.00 C ATOM 795 CD LYS A 55 4.704 -15.428 -18.962 1.00 0.00 C ATOM 796 CE LYS A 55 5.090 -16.849 -18.508 1.00 0.00 C ATOM 797 NZ LYS A 55 6.310 -17.361 -19.162 1.00 0.00 N ATOM 0 H LYS A 55 4.484 -16.839 -15.801 1.00 0.00 H new ATOM 0 HA LYS A 55 3.412 -14.216 -15.208 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.909 -16.298 -17.342 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.004 -14.800 -17.256 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.612 -13.675 -18.338 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.835 -14.195 -17.197 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.015 -15.505 -19.803 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.598 -14.923 -19.327 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.238 -16.850 -17.428 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.262 -17.527 -18.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.515 -18.319 -18.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.166 -17.390 -20.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.111 -16.735 -18.942 1.00 0.00 H new ATOM 811 N GLU A 56 1.559 -16.932 -14.633 1.00 0.00 N ATOM 812 CA GLU A 56 0.300 -17.458 -14.042 1.00 0.00 C ATOM 813 C GLU A 56 0.303 -17.145 -12.521 1.00 0.00 C ATOM 814 O GLU A 56 -0.741 -16.826 -11.940 1.00 0.00 O ATOM 815 CB GLU A 56 0.141 -18.972 -14.367 1.00 0.00 C ATOM 816 CG GLU A 56 -0.665 -19.324 -15.640 1.00 0.00 C ATOM 817 CD GLU A 56 -0.180 -18.611 -16.907 1.00 0.00 C ATOM 818 OE1 GLU A 56 -0.174 -17.360 -16.933 1.00 0.00 O ATOM 819 OE2 GLU A 56 0.194 -19.299 -17.882 1.00 0.00 O ATOM 0 H GLU A 56 2.189 -17.660 -14.970 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.572 -16.971 -14.478 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.136 -19.407 -14.462 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.338 -19.455 -13.515 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.616 -20.401 -15.801 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.713 -19.074 -15.474 1.00 0.00 H new ATOM 826 N GLU A 57 1.485 -17.272 -11.888 1.00 0.00 N ATOM 827 CA GLU A 57 1.654 -17.018 -10.432 1.00 0.00 C ATOM 828 C GLU A 57 1.259 -15.547 -10.128 1.00 0.00 C ATOM 829 O GLU A 57 0.627 -15.260 -9.104 1.00 0.00 O ATOM 830 CB GLU A 57 3.097 -17.361 -9.960 1.00 0.00 C ATOM 831 CG GLU A 57 3.605 -18.807 -10.185 1.00 0.00 C ATOM 832 CD GLU A 57 4.441 -19.367 -9.030 1.00 0.00 C ATOM 833 OE1 GLU A 57 4.075 -19.143 -7.854 1.00 0.00 O ATOM 834 OE2 GLU A 57 5.468 -20.030 -9.292 1.00 0.00 O ATOM 0 H GLU A 57 2.345 -17.550 -12.360 1.00 0.00 H new ATOM 0 HA GLU A 57 0.994 -17.675 -9.865 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.785 -16.682 -10.464 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.161 -17.146 -8.893 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.747 -19.460 -10.348 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.202 -18.832 -11.096 1.00 0.00 H new ATOM 841 N LEU A 58 1.667 -14.623 -11.017 1.00 0.00 N ATOM 842 CA LEU A 58 1.462 -13.162 -10.823 1.00 0.00 C ATOM 843 C LEU A 58 -0.036 -12.817 -11.041 1.00 0.00 C ATOM 844 O LEU A 58 -0.549 -11.852 -10.461 1.00 0.00 O ATOM 845 CB LEU A 58 2.428 -12.397 -11.775 1.00 0.00 C ATOM 846 CG LEU A 58 3.745 -11.860 -11.146 1.00 0.00 C ATOM 847 CD1 LEU A 58 3.454 -11.131 -9.819 1.00 0.00 C ATOM 848 CD2 LEU A 58 4.799 -12.964 -10.916 1.00 0.00 C ATOM 0 H LEU A 58 2.146 -14.858 -11.887 1.00 0.00 H new ATOM 0 HA LEU A 58 1.700 -12.852 -9.805 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.690 -13.060 -12.599 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.887 -11.554 -12.204 1.00 0.00 H new ATOM 0 HG LEU A 58 4.166 -11.159 -11.867 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.388 -10.762 -9.394 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.783 -10.292 -10.004 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.985 -11.823 -9.119 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.695 -12.526 -10.475 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.394 -13.718 -10.241 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.053 -13.428 -11.869 1.00 0.00 H new ATOM 860 N ASP A 59 -0.714 -13.593 -11.907 1.00 0.00 N ATOM 861 CA ASP A 59 -2.128 -13.348 -12.298 1.00 0.00 C ATOM 862 C ASP A 59 -2.973 -13.093 -11.020 1.00 0.00 C ATOM 863 O ASP A 59 -3.963 -12.352 -11.057 1.00 0.00 O ATOM 864 CB ASP A 59 -2.690 -14.515 -13.162 1.00 0.00 C ATOM 865 CG ASP A 59 -4.162 -14.390 -13.592 1.00 0.00 C ATOM 866 OD1 ASP A 59 -4.626 -13.256 -13.842 1.00 0.00 O ATOM 867 OD2 ASP A 59 -4.858 -15.427 -13.675 1.00 0.00 O ATOM 0 H ASP A 59 -0.303 -14.410 -12.359 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.182 -12.459 -12.927 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.077 -14.604 -14.059 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.573 -15.443 -12.603 1.00 0.00 H new ATOM 872 N ALA A 60 -2.584 -13.738 -9.904 1.00 0.00 N ATOM 873 CA ALA A 60 -3.313 -13.633 -8.612 1.00 0.00 C ATOM 874 C ALA A 60 -3.012 -12.263 -7.942 1.00 0.00 C ATOM 875 O ALA A 60 -3.919 -11.603 -7.422 1.00 0.00 O ATOM 876 CB ALA A 60 -2.912 -14.815 -7.708 1.00 0.00 C ATOM 0 H ALA A 60 -1.764 -14.343 -9.865 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.389 -13.683 -8.782 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.443 -14.744 -6.759 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.171 -15.753 -8.199 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.838 -14.785 -7.526 1.00 0.00 H new ATOM 882 N ILE A 61 -1.724 -11.873 -7.941 1.00 0.00 N ATOM 883 CA ILE A 61 -1.254 -10.598 -7.338 1.00 0.00 C ATOM 884 C ILE A 61 -2.171 -9.480 -7.909 1.00 0.00 C ATOM 885 O ILE A 61 -2.561 -8.556 -7.183 1.00 0.00 O ATOM 886 CB ILE A 61 0.287 -10.370 -7.569 1.00 0.00 C ATOM 887 CG1 ILE A 61 1.136 -10.639 -6.286 1.00 0.00 C ATOM 888 CG2 ILE A 61 0.604 -8.957 -8.129 1.00 0.00 C ATOM 889 CD1 ILE A 61 1.918 -9.435 -5.735 1.00 0.00 C ATOM 0 H ILE A 61 -0.975 -12.428 -8.356 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.340 -10.605 -6.251 1.00 0.00 H new ATOM 0 HB ILE A 61 0.573 -11.105 -8.322 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.471 -11.005 -5.504 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.844 -11.439 -6.503 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.680 -8.854 -8.269 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.099 -8.823 -9.086 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.256 -8.200 -7.426 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.471 -9.736 -4.845 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.616 -9.077 -6.492 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.222 -8.637 -5.477 1.00 0.00 H new ATOM 901 N ILE A 62 -2.501 -9.578 -9.210 1.00 0.00 N ATOM 902 CA ILE A 62 -3.276 -8.541 -9.944 1.00 0.00 C ATOM 903 C ILE A 62 -4.761 -8.731 -9.532 1.00 0.00 C ATOM 904 O ILE A 62 -5.514 -7.755 -9.431 1.00 0.00 O ATOM 905 CB ILE A 62 -3.005 -8.595 -11.495 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.503 -8.356 -11.853 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.904 -7.611 -12.292 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.239 -7.513 -13.112 1.00 0.00 C ATOM 0 H ILE A 62 -2.241 -10.376 -9.789 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.964 -7.531 -9.677 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.265 -9.610 -11.794 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.020 -7.869 -11.005 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.021 -9.325 -11.981 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.676 -7.689 -13.355 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.952 -7.860 -12.126 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.716 -6.592 -11.955 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.164 -7.412 -13.264 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.683 -8.004 -13.978 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.682 -6.525 -12.988 1.00 0.00 H new ATOM 920 N GLU A 63 -5.172 -9.997 -9.324 1.00 0.00 N ATOM 921 CA GLU A 63 -6.564 -10.343 -8.926 1.00 0.00 C ATOM 922 C GLU A 63 -6.977 -9.425 -7.743 1.00 0.00 C ATOM 923 O GLU A 63 -8.144 -9.031 -7.628 1.00 0.00 O ATOM 924 CB GLU A 63 -6.680 -11.861 -8.603 1.00 0.00 C ATOM 925 CG GLU A 63 -8.108 -12.454 -8.577 1.00 0.00 C ATOM 926 CD GLU A 63 -8.458 -13.191 -7.280 1.00 0.00 C ATOM 927 OE1 GLU A 63 -8.827 -12.525 -6.287 1.00 0.00 O ATOM 928 OE2 GLU A 63 -8.370 -14.438 -7.250 1.00 0.00 O ATOM 0 H GLU A 63 -4.560 -10.807 -9.424 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.259 -10.165 -9.746 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.095 -12.412 -9.339 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.219 -12.039 -7.632 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.827 -11.649 -8.729 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.219 -13.143 -9.414 1.00 0.00 H new ATOM 935 N GLU A 64 -6.000 -9.084 -6.883 1.00 0.00 N ATOM 936 CA GLU A 64 -6.233 -8.236 -5.684 1.00 0.00 C ATOM 937 C GLU A 64 -6.258 -6.749 -6.133 1.00 0.00 C ATOM 938 O GLU A 64 -7.151 -5.987 -5.743 1.00 0.00 O ATOM 939 CB GLU A 64 -5.167 -8.539 -4.592 1.00 0.00 C ATOM 940 CG GLU A 64 -5.677 -9.214 -3.297 1.00 0.00 C ATOM 941 CD GLU A 64 -6.060 -8.232 -2.186 1.00 0.00 C ATOM 942 OE1 GLU A 64 -5.154 -7.716 -1.495 1.00 0.00 O ATOM 943 OE2 GLU A 64 -7.269 -7.972 -1.997 1.00 0.00 O ATOM 0 H GLU A 64 -5.031 -9.383 -6.992 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.196 -8.460 -5.225 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.401 -9.179 -5.031 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.682 -7.602 -4.320 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.544 -9.828 -3.538 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.905 -9.886 -2.922 1.00 0.00 H new ATOM 950 N VAL A 65 -5.262 -6.354 -6.947 1.00 0.00 N ATOM 951 CA VAL A 65 -5.079 -4.946 -7.390 1.00 0.00 C ATOM 952 C VAL A 65 -5.569 -4.853 -8.862 1.00 0.00 C ATOM 953 O VAL A 65 -4.784 -4.551 -9.771 1.00 0.00 O ATOM 954 CB VAL A 65 -3.604 -4.451 -7.181 1.00 0.00 C ATOM 955 CG1 VAL A 65 -3.371 -3.835 -5.781 1.00 0.00 C ATOM 956 CG2 VAL A 65 -2.529 -5.542 -7.411 1.00 0.00 C ATOM 0 H VAL A 65 -4.560 -6.994 -7.319 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.674 -4.268 -6.778 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.487 -3.686 -7.948 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.334 -3.511 -5.694 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.032 -2.979 -5.646 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.583 -4.581 -5.015 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.539 -5.117 -7.246 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.691 -6.365 -6.715 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.600 -5.912 -8.434 1.00 0.00 H new ATOM 966 N ASP A 66 -6.871 -5.116 -9.082 1.00 0.00 N ATOM 967 CA ASP A 66 -7.489 -5.068 -10.434 1.00 0.00 C ATOM 968 C ASP A 66 -9.031 -5.171 -10.277 1.00 0.00 C ATOM 969 O ASP A 66 -9.657 -6.138 -10.732 1.00 0.00 O ATOM 970 CB ASP A 66 -6.901 -6.162 -11.372 1.00 0.00 C ATOM 971 CG ASP A 66 -7.170 -5.980 -12.876 1.00 0.00 C ATOM 972 OD1 ASP A 66 -6.918 -4.876 -13.408 1.00 0.00 O ATOM 973 OD2 ASP A 66 -7.628 -6.944 -13.529 1.00 0.00 O ATOM 0 H ASP A 66 -7.524 -5.366 -8.340 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.253 -4.119 -10.916 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.823 -6.202 -11.219 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.302 -7.128 -11.066 1.00 0.00 H new ATOM 978 N GLU A 67 -9.625 -4.179 -9.590 1.00 0.00 N ATOM 979 CA GLU A 67 -11.082 -4.110 -9.308 1.00 0.00 C ATOM 980 C GLU A 67 -11.805 -3.404 -10.488 1.00 0.00 C ATOM 981 O GLU A 67 -12.787 -2.660 -10.289 1.00 0.00 O ATOM 982 CB GLU A 67 -11.321 -3.412 -7.934 1.00 0.00 C ATOM 983 CG GLU A 67 -12.490 -3.954 -7.079 1.00 0.00 C ATOM 984 CD GLU A 67 -13.129 -2.912 -6.155 1.00 0.00 C ATOM 985 OE1 GLU A 67 -12.416 -1.990 -5.699 1.00 0.00 O ATOM 986 OE2 GLU A 67 -14.346 -3.009 -5.884 1.00 0.00 O ATOM 0 H GLU A 67 -9.105 -3.389 -9.207 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.506 -5.111 -9.228 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.405 -3.490 -7.348 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.494 -2.351 -8.116 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.257 -4.353 -7.743 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.128 -4.786 -6.475 1.00 0.00 H new ATOM 993 N ASP A 68 -11.350 -3.653 -11.731 1.00 0.00 N ATOM 994 CA ASP A 68 -11.906 -3.018 -12.957 1.00 0.00 C ATOM 995 C ASP A 68 -11.998 -4.091 -14.074 1.00 0.00 C ATOM 996 O ASP A 68 -13.028 -4.226 -14.747 1.00 0.00 O ATOM 997 CB ASP A 68 -11.074 -1.775 -13.386 1.00 0.00 C ATOM 998 CG ASP A 68 -9.957 -2.030 -14.413 1.00 0.00 C ATOM 999 OD1 ASP A 68 -8.847 -2.443 -14.011 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -10.187 -1.812 -15.623 1.00 0.00 O ATOM 0 H ASP A 68 -10.585 -4.300 -11.921 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.908 -2.641 -12.754 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.756 -1.031 -13.798 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.626 -1.337 -12.494 1.00 0.00 H new ATOM 1005 N GLY A 69 -10.913 -4.873 -14.249 1.00 0.00 N ATOM 1006 CA GLY A 69 -10.862 -5.959 -15.260 1.00 0.00 C ATOM 1007 C GLY A 69 -10.064 -5.495 -16.506 1.00 0.00 C ATOM 1008 O GLY A 69 -10.586 -4.757 -17.352 1.00 0.00 O ATOM 0 H GLY A 69 -10.057 -4.775 -13.704 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.395 -6.845 -14.829 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.873 -6.242 -15.552 1.00 0.00 H new ATOM 1012 N SER A 70 -8.797 -5.941 -16.600 1.00 0.00 N ATOM 1013 CA SER A 70 -7.879 -5.569 -17.709 1.00 0.00 C ATOM 1014 C SER A 70 -6.653 -6.520 -17.718 1.00 0.00 C ATOM 1015 O SER A 70 -6.265 -7.055 -18.764 1.00 0.00 O ATOM 1016 CB SER A 70 -7.473 -4.085 -17.565 1.00 0.00 C ATOM 1017 OG SER A 70 -7.091 -3.778 -16.228 1.00 0.00 O ATOM 0 H SER A 70 -8.376 -6.568 -15.915 1.00 0.00 H new ATOM 0 HA SER A 70 -8.381 -5.681 -18.670 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.646 -3.865 -18.241 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.306 -3.448 -17.862 1.00 0.00 H new ATOM 0 HG SER A 70 -7.850 -3.377 -15.755 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.047 -6.727 -16.531 1.00 0.00 N ATOM 1024 CA GLY A 71 -4.865 -7.613 -16.378 1.00 0.00 C ATOM 1025 C GLY A 71 -3.577 -6.766 -16.208 1.00 0.00 C ATOM 1026 O GLY A 71 -2.637 -7.177 -15.515 1.00 0.00 O ATOM 0 H GLY A 71 -6.354 -6.294 -15.660 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.998 -8.263 -15.513 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.771 -8.259 -17.251 1.00 0.00 H new ATOM 1030 N THR A 72 -3.554 -5.583 -16.852 1.00 0.00 N ATOM 1031 CA THR A 72 -2.374 -4.678 -16.862 1.00 0.00 C ATOM 1032 C THR A 72 -2.560 -3.603 -15.758 1.00 0.00 C ATOM 1033 O THR A 72 -3.669 -3.406 -15.242 1.00 0.00 O ATOM 1034 CB THR A 72 -2.122 -4.058 -18.273 1.00 0.00 C ATOM 1035 OG1 THR A 72 -3.336 -3.552 -18.824 1.00 0.00 O ATOM 1036 CG2 THR A 72 -1.492 -5.011 -19.305 1.00 0.00 C ATOM 0 H THR A 72 -4.348 -5.223 -17.381 1.00 0.00 H new ATOM 0 HA THR A 72 -1.475 -5.253 -16.640 1.00 0.00 H new ATOM 0 HB THR A 72 -1.398 -3.264 -18.089 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.159 -3.166 -19.707 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.358 -4.486 -20.251 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.524 -5.354 -18.940 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.148 -5.869 -19.456 1.00 0.00 H new ATOM 1044 N ILE A 73 -1.469 -2.890 -15.413 1.00 0.00 N ATOM 1045 CA ILE A 73 -1.460 -1.822 -14.377 1.00 0.00 C ATOM 1046 C ILE A 73 -1.038 -0.516 -15.109 1.00 0.00 C ATOM 1047 O ILE A 73 0.157 -0.252 -15.285 1.00 0.00 O ATOM 1048 CB ILE A 73 -0.562 -2.209 -13.142 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.172 -3.371 -12.294 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -0.248 -0.993 -12.229 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -0.166 -4.220 -11.499 1.00 0.00 C ATOM 0 H ILE A 73 -0.557 -3.036 -15.846 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.442 -1.676 -13.927 1.00 0.00 H new ATOM 0 HB ILE A 73 0.376 -2.562 -13.571 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.892 -2.946 -11.595 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.727 -4.030 -12.962 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.374 -1.316 -11.394 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.282 -0.234 -12.804 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.179 -0.574 -11.848 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.699 -4.995 -10.948 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.541 -4.684 -12.186 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.374 -3.583 -10.798 1.00 0.00 H new ATOM 1063 N ASP A 74 -2.033 0.278 -15.546 1.00 0.00 N ATOM 1064 CA ASP A 74 -1.795 1.559 -16.265 1.00 0.00 C ATOM 1065 C ASP A 74 -1.429 2.661 -15.232 1.00 0.00 C ATOM 1066 O ASP A 74 -1.589 2.477 -14.018 1.00 0.00 O ATOM 1067 CB ASP A 74 -3.013 1.952 -17.151 1.00 0.00 C ATOM 1068 CG ASP A 74 -3.862 0.787 -17.688 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -4.791 0.338 -16.980 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -3.605 0.322 -18.820 1.00 0.00 O ATOM 0 H ASP A 74 -3.021 0.058 -15.416 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.957 1.440 -16.951 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.661 2.610 -16.572 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.648 2.530 -18.000 1.00 0.00 H new ATOM 1075 N PHE A 75 -0.966 3.821 -15.735 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.626 4.994 -14.884 1.00 0.00 C ATOM 1077 C PHE A 75 -1.873 5.399 -14.052 1.00 0.00 C ATOM 1078 O PHE A 75 -1.740 5.978 -12.964 1.00 0.00 O ATOM 1079 CB PHE A 75 -0.101 6.171 -15.758 1.00 0.00 C ATOM 1080 CG PHE A 75 0.740 7.222 -15.004 1.00 0.00 C ATOM 1081 CD1 PHE A 75 1.139 6.985 -13.682 1.00 0.00 C ATOM 1082 CD2 PHE A 75 1.102 8.424 -15.623 1.00 0.00 C ATOM 1083 CE1 PHE A 75 1.856 7.953 -12.981 1.00 0.00 C ATOM 1084 CE2 PHE A 75 1.819 9.389 -14.919 1.00 0.00 C ATOM 1085 CZ PHE A 75 2.183 9.158 -13.596 1.00 0.00 C ATOM 0 H PHE A 75 -0.816 3.978 -16.732 1.00 0.00 H new ATOM 0 HA PHE A 75 0.176 4.730 -14.194 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.501 5.761 -16.569 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.954 6.672 -16.216 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.890 6.049 -13.204 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.824 8.604 -16.651 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.158 7.768 -11.961 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.092 10.316 -15.400 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.721 9.916 -13.045 1.00 0.00 H new ATOM 1095 N GLU A 76 -3.075 5.118 -14.584 1.00 0.00 N ATOM 1096 CA GLU A 76 -4.366 5.509 -13.948 1.00 0.00 C ATOM 1097 C GLU A 76 -4.866 4.310 -13.087 1.00 0.00 C ATOM 1098 O GLU A 76 -6.044 3.935 -13.083 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.374 6.013 -15.022 1.00 0.00 C ATOM 1100 CG GLU A 76 -6.856 5.566 -15.029 1.00 0.00 C ATOM 1101 CD GLU A 76 -7.825 6.589 -15.630 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -8.318 7.466 -14.887 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -8.099 6.518 -16.849 1.00 0.00 O ATOM 0 H GLU A 76 -3.190 4.615 -15.464 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.243 6.356 -13.273 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.374 7.102 -14.967 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.960 5.743 -15.993 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.939 4.634 -15.588 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.163 5.352 -14.005 1.00 0.00 H new ATOM 1110 N GLU A 77 -3.924 3.726 -12.310 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.185 2.552 -11.432 1.00 0.00 C ATOM 1112 C GLU A 77 -3.086 2.484 -10.337 1.00 0.00 C ATOM 1113 O GLU A 77 -3.379 2.237 -9.161 1.00 0.00 O ATOM 1114 CB GLU A 77 -4.269 1.229 -12.247 1.00 0.00 C ATOM 1115 CG GLU A 77 -4.815 -0.009 -11.498 1.00 0.00 C ATOM 1116 CD GLU A 77 -5.352 -1.091 -12.439 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -6.554 -1.051 -12.783 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -4.574 -1.982 -12.844 1.00 0.00 O ATOM 0 H GLU A 77 -2.959 4.053 -12.271 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.157 2.676 -10.954 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.898 1.405 -13.119 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.271 0.992 -12.616 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.022 -0.433 -10.882 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.611 0.304 -10.822 1.00 0.00 H new ATOM 1125 N PHE A 78 -1.823 2.706 -10.744 1.00 0.00 N ATOM 1126 CA PHE A 78 -0.653 2.677 -9.826 1.00 0.00 C ATOM 1127 C PHE A 78 -0.888 3.714 -8.694 1.00 0.00 C ATOM 1128 O PHE A 78 -0.611 3.443 -7.520 1.00 0.00 O ATOM 1129 CB PHE A 78 0.667 2.941 -10.613 1.00 0.00 C ATOM 1130 CG PHE A 78 1.965 2.788 -9.793 1.00 0.00 C ATOM 1131 CD1 PHE A 78 1.997 1.971 -8.657 1.00 0.00 C ATOM 1132 CD2 PHE A 78 3.138 3.429 -10.209 1.00 0.00 C ATOM 1133 CE1 PHE A 78 3.183 1.807 -7.943 1.00 0.00 C ATOM 1134 CE2 PHE A 78 4.323 3.259 -9.497 1.00 0.00 C ATOM 1135 CZ PHE A 78 4.344 2.450 -8.365 1.00 0.00 C ATOM 0 H PHE A 78 -1.578 2.910 -11.713 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.548 1.691 -9.374 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.709 2.256 -11.460 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.631 3.951 -11.021 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.099 1.466 -8.332 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.124 4.059 -11.086 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.201 1.181 -7.063 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.225 3.755 -9.823 1.00 0.00 H new ATOM 0 HZ PHE A 78 5.263 2.320 -7.812 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.410 4.897 -9.070 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.607 6.034 -8.132 1.00 0.00 C ATOM 1147 C LEU A 79 -2.700 5.632 -7.104 1.00 0.00 C ATOM 1148 O LEU A 79 -2.659 6.060 -5.944 1.00 0.00 O ATOM 1149 CB LEU A 79 -1.990 7.332 -8.906 1.00 0.00 C ATOM 1150 CG LEU A 79 -1.069 7.766 -10.083 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.661 8.971 -10.840 1.00 0.00 C ATOM 1152 CD2 LEU A 79 0.367 8.089 -9.622 1.00 0.00 C ATOM 0 H LEU A 79 -1.707 5.097 -10.025 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.679 6.251 -7.603 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.999 7.204 -9.298 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.028 8.152 -8.189 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.015 6.912 -10.759 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.995 9.251 -11.656 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.637 8.703 -11.244 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.770 9.813 -10.156 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.967 8.386 -10.482 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.342 8.903 -8.898 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.808 7.206 -9.160 1.00 0.00 H new ATOM 1164 N VAL A 80 -3.685 4.832 -7.554 1.00 0.00 N ATOM 1165 CA VAL A 80 -4.808 4.362 -6.699 1.00 0.00 C ATOM 1166 C VAL A 80 -4.200 3.512 -5.550 1.00 0.00 C ATOM 1167 O VAL A 80 -4.631 3.616 -4.395 1.00 0.00 O ATOM 1168 CB VAL A 80 -5.904 3.606 -7.533 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -7.229 3.362 -6.769 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -6.241 4.318 -8.865 1.00 0.00 C ATOM 0 H VAL A 80 -3.731 4.491 -8.514 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.341 5.208 -6.265 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.441 2.640 -7.734 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.930 2.835 -7.416 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.032 2.760 -5.882 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.658 4.318 -6.471 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.004 3.750 -9.398 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.614 5.321 -8.657 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.343 4.385 -9.479 1.00 0.00 H new ATOM 1180 N MET A 81 -3.197 2.679 -5.885 1.00 0.00 N ATOM 1181 CA MET A 81 -2.511 1.791 -4.910 1.00 0.00 C ATOM 1182 C MET A 81 -1.888 2.680 -3.799 1.00 0.00 C ATOM 1183 O MET A 81 -2.276 2.594 -2.628 1.00 0.00 O ATOM 1184 CB MET A 81 -1.449 0.895 -5.608 1.00 0.00 C ATOM 1185 CG MET A 81 -1.006 -0.357 -4.827 1.00 0.00 C ATOM 1186 SD MET A 81 0.657 -0.117 -4.163 1.00 0.00 S ATOM 1187 CE MET A 81 1.582 -1.379 -5.063 1.00 0.00 C ATOM 0 H MET A 81 -2.835 2.598 -6.835 1.00 0.00 H new ATOM 0 HA MET A 81 -3.230 1.106 -4.460 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.847 0.576 -6.571 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.567 1.502 -5.813 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.705 -0.555 -4.015 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.023 -1.228 -5.482 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.628 -1.351 -4.757 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.166 -2.362 -4.842 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.512 -1.187 -6.134 1.00 0.00 H new ATOM 1197 N MET A 82 -0.896 3.506 -4.183 1.00 0.00 N ATOM 1198 CA MET A 82 -0.118 4.337 -3.225 1.00 0.00 C ATOM 1199 C MET A 82 -1.086 5.164 -2.334 1.00 0.00 C ATOM 1200 O MET A 82 -0.753 5.497 -1.189 1.00 0.00 O ATOM 1201 CB MET A 82 0.882 5.242 -3.999 1.00 0.00 C ATOM 1202 CG MET A 82 2.275 4.632 -4.248 1.00 0.00 C ATOM 1203 SD MET A 82 3.336 4.822 -2.796 1.00 0.00 S ATOM 1204 CE MET A 82 3.178 3.203 -2.014 1.00 0.00 C ATOM 0 H MET A 82 -0.608 3.621 -5.155 1.00 0.00 H new ATOM 0 HA MET A 82 0.465 3.693 -2.566 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.441 5.500 -4.962 1.00 0.00 H new ATOM 0 HB3 MET A 82 1.006 6.173 -3.445 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.174 3.575 -4.493 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.739 5.116 -5.108 1.00 0.00 H new ATOM 0 HE1 MET A 82 2.767 3.322 -1.011 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.512 2.576 -2.607 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.159 2.732 -1.951 1.00 0.00 H new ATOM 1214 N VAL A 83 -2.265 5.514 -2.881 1.00 0.00 N ATOM 1215 CA VAL A 83 -3.252 6.400 -2.206 1.00 0.00 C ATOM 1216 C VAL A 83 -3.818 5.626 -0.983 1.00 0.00 C ATOM 1217 O VAL A 83 -3.943 6.189 0.113 1.00 0.00 O ATOM 1218 CB VAL A 83 -4.358 6.910 -3.196 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -5.750 6.298 -2.907 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -4.512 8.451 -3.242 1.00 0.00 C ATOM 0 H VAL A 83 -2.567 5.195 -3.802 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.771 7.312 -1.853 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.996 6.572 -4.167 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.474 6.687 -3.623 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.697 5.213 -2.998 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.061 6.562 -1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.297 8.717 -3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.777 8.820 -2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.571 8.901 -3.557 1.00 0.00 H new ATOM 1230 N ARG A 84 -4.183 4.349 -1.195 1.00 0.00 N ATOM 1231 CA ARG A 84 -4.848 3.504 -0.167 1.00 0.00 C ATOM 1232 C ARG A 84 -3.942 3.456 1.093 1.00 0.00 C ATOM 1233 O ARG A 84 -4.437 3.315 2.219 1.00 0.00 O ATOM 1234 CB ARG A 84 -5.121 2.078 -0.724 1.00 0.00 C ATOM 1235 CG ARG A 84 -6.526 1.877 -1.340 1.00 0.00 C ATOM 1236 CD ARG A 84 -6.524 0.882 -2.516 1.00 0.00 C ATOM 1237 NE ARG A 84 -7.134 -0.418 -2.139 1.00 0.00 N ATOM 1238 CZ ARG A 84 -6.441 -1.524 -1.799 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -5.265 -1.436 -1.191 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -6.941 -2.734 -2.008 1.00 0.00 N ATOM 0 H ARG A 84 -4.029 3.867 -2.081 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.813 3.933 0.101 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -4.372 1.850 -1.482 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -4.987 1.357 0.082 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.208 1.520 -0.569 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.908 2.838 -1.684 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.071 1.310 -3.356 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -5.500 0.719 -2.853 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.152 -0.479 -2.137 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.871 -0.521 -0.973 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.755 -2.283 -0.941 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -7.863 -2.839 -2.432 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -6.404 -3.560 -1.745 1.00 0.00 H new ATOM 1254 N GLN A 85 -2.614 3.541 0.888 1.00 0.00 N ATOM 1255 CA GLN A 85 -1.616 3.467 1.989 1.00 0.00 C ATOM 1256 C GLN A 85 -1.475 4.874 2.631 1.00 0.00 C ATOM 1257 O GLN A 85 -1.241 4.995 3.840 1.00 0.00 O ATOM 1258 CB GLN A 85 -0.263 2.922 1.449 1.00 0.00 C ATOM 1259 CG GLN A 85 -0.133 1.381 1.358 1.00 0.00 C ATOM 1260 CD GLN A 85 0.770 0.753 2.433 1.00 0.00 C ATOM 1261 OE1 GLN A 85 0.394 -0.210 3.101 1.00 0.00 O ATOM 1262 NE2 GLN A 85 1.974 1.273 2.621 1.00 0.00 N ATOM 0 H GLN A 85 -2.198 3.662 -0.035 1.00 0.00 H new ATOM 0 HA GLN A 85 -1.948 2.773 2.761 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -0.098 3.339 0.455 1.00 0.00 H new ATOM 0 HB3 GLN A 85 0.537 3.296 2.088 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -1.127 0.940 1.433 1.00 0.00 H new ATOM 0 HG3 GLN A 85 0.258 1.119 0.375 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.278 2.071 2.063 1.00 0.00 H new ATOM 0 HE22 GLN A 85 2.597 0.875 3.324 1.00 0.00 H new ATOM 1271 N MET A 86 -1.621 5.927 1.805 1.00 0.00 N ATOM 1272 CA MET A 86 -1.410 7.336 2.231 1.00 0.00 C ATOM 1273 C MET A 86 -2.324 7.615 3.455 1.00 0.00 C ATOM 1274 O MET A 86 -1.867 8.146 4.476 1.00 0.00 O ATOM 1275 CB MET A 86 -1.674 8.327 1.063 1.00 0.00 C ATOM 1276 CG MET A 86 -0.466 9.170 0.610 1.00 0.00 C ATOM 1277 SD MET A 86 -0.943 10.906 0.458 1.00 0.00 S ATOM 1278 CE MET A 86 -1.829 10.892 -1.115 1.00 0.00 C ATOM 0 H MET A 86 -1.888 5.833 0.825 1.00 0.00 H new ATOM 0 HA MET A 86 -0.370 7.487 2.520 1.00 0.00 H new ATOM 0 HB2 MET A 86 -2.039 7.760 0.206 1.00 0.00 H new ATOM 0 HB3 MET A 86 -2.474 9.005 1.361 1.00 0.00 H new ATOM 0 HG2 MET A 86 0.347 9.070 1.329 1.00 0.00 H new ATOM 0 HG3 MET A 86 -0.094 8.802 -0.346 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.091 11.913 -1.394 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.194 10.456 -1.886 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.738 10.299 -1.015 1.00 0.00 H new ATOM 1288 N LYS A 87 -3.621 7.277 3.324 1.00 0.00 N ATOM 1289 CA LYS A 87 -4.651 7.579 4.353 1.00 0.00 C ATOM 1290 C LYS A 87 -4.189 6.967 5.704 1.00 0.00 C ATOM 1291 O LYS A 87 -4.413 7.553 6.771 1.00 0.00 O ATOM 1292 CB LYS A 87 -6.048 7.014 3.968 1.00 0.00 C ATOM 1293 CG LYS A 87 -6.194 5.477 4.074 1.00 0.00 C ATOM 1294 CD LYS A 87 -7.639 4.948 3.965 1.00 0.00 C ATOM 1295 CE LYS A 87 -7.773 3.556 3.315 1.00 0.00 C ATOM 1296 NZ LYS A 87 -8.989 2.862 3.774 1.00 0.00 N ATOM 0 H LYS A 87 -3.990 6.789 2.508 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.755 8.661 4.432 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.798 7.478 4.608 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.273 7.314 2.944 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.595 5.016 3.289 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.776 5.153 5.027 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.073 4.910 4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.229 5.661 3.388 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.800 3.661 2.230 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.896 2.955 3.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.049 1.929 3.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.951 2.741 4.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.826 3.425 3.522 1.00 0.00 H new